1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one

C13H18N4OS — CID 55261811

IUPAC1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2cscn2)c1=O
InChIInChI=1S/C13H18N4OS/c1-10(2)7-17-6-5-15-12(13(17)18)14-4-3-11-8-19-9-16-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyKVCZHTOMDXJOIF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.01
Rot. Bonds6

About 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one

1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (PubChem CID 55261811) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
PubChem CID55261811
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2cscn2)c1=O
InChIInChI=1S/C13H18N4OS/c1-10(2)7-17-6-5-15-12(13(17)18)14-4-3-11-8-19-9-16-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyKVCZHTOMDXJOIF-UHFFFAOYSA-N
XLogP2.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one (CID 55261811) is 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is CC(C)Cn1ccnc(NCCc2cscn2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
The InChIKey is KVCZHTOMDXJOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10(2)7-17-6-5-15-12(13(17)18)14-4-3-11-8-19-9-16-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one?
1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-(1,3-thiazol-4-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 55261811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).